2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide
Basic information
- CAS
838901-25-0- Standard SMILES
O=C(CN1CCc2ccccc2C1)Nc1ccc(F)cc1- InChIKey
QUZQCCQDCHWYBR-UHFFFAOYSA-N- Molecular formula
- C17H17FN2O
- Average molar mass
- 284.33 g/mol
- Monoisotopic mass
- 284.13249133
Names & identifiers
- Preferred name
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide
- IUPAC
- 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide
Names & synonyms
838901-25-02-(3,4-dihydro-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)acetamide2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(4-fluorophenyl)acetamide2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamideMLS001163671CHEMBL1872250DTXSID301327056HMS2833M12STL509467AKOS000408379UPCMLD0ENAT5803590:001SMR000498660
Show more names
SR-01000304536SR-01000304536-1Z46162010
Database identifiers
- CAS
838901-25-0- PubChem CID
- 2990597
- DTXSID
DTXSID301327056- ChEMBL
CHEMBL1872250
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Experimental & physicochemical properties
Solubility39.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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